CID 483270

5-methyl-3-(5-methyl-4-nitroso-2-phenyl-2h-pyrazol-3-yl)-isoxazole

Structural Information

Molecular Formula
C14H12N4O2
SMILES
CC1=CC(=NO1)C2=C(C(=NN2C3=CC=CC=C3)C)N=O
InChI
InChI=1S/C14H12N4O2/c1-9-8-12(17-20-9)14-13(16-19)10(2)15-18(14)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
FLOYSSRIUNGCOW-UHFFFAOYSA-N
Compound name
5-methyl-3-(3-methyl-4-nitroso-1-phenylpyrazol-5-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.09604 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.103316 157.5
[M+Na]+ 291.085258 169.7
[M-H]- 267.088764 167.5
[M+NH4]+ 286.129863 172.9
[M+K]+ 307.059198 167.2
[M+H-H2O]+ 251.093300 148.3
[M+HCOO]- 313.094241 184.4
[M+CH3COO]- 327.109891 171.9
[M+Na-2H]- 289.070706 161.8
[M]+ 268.09549142 164.1
[M]- 268.09658858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.